1-methyl-5-phenyl-1,7-diaza-4-azanidacyclononane; titanium(3+); dichloride

Systemtic Name: 1-methyl-5-phenyl-1,7-diaza-4-azanidacyclononane; titanium(3+); dichloride Openeye Name: 1-methyl-5-phenyl-1,7-diaza-4-azanidacyclononane; titanium(3+); dichloride CAS Name: 1-methyl-5-phenyl-1,7-diaza-4-azanidacyclononane; titanium(3+); dichloride IUPAC Name: 1-methyl-5-phenyl-1,7-diaza-4-azanidacyclononane; titanium(3+); dichloride Traditional Name: 1-methyl-5-phenyl-1,7-diaza-4-azanidacyclononane; titanium(3+); dichloride Formula: C13H20Cl2N3Ti MolecularWeight: 337.091

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCNCC([N-]CC1)C2=CC=CC=C2.[Cl-].[Cl-].[Ti+3]

Isomeric SMILES

CN1CCNCC([N-]CC1)C2=CC=CC=C2.[Cl-].[Cl-].[Ti+3]

InChI

InChI=1S/C13H20N3.2ClH.Ti/c1-16-9-7-14-11-13(15-8-10-16)12-5-3-2-4-6-12;;;/h2-6,13-14H,7-11H2,1H3;2*1H;/q-1;;;+3/p-2